N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine

C17H25NS — CID 106798004

IUPACN-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(CC2CSc3ccccc32)CC1
InChIInChI=1S/C17H25NS/c1-3-10-18-13(2)17(8-9-17)11-14-12-19-16-7-5-4-6-15(14)16/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyRDRABSJKELIVGA-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.43
Rot. Bonds6

About N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine

N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine (PubChem CID 106798004) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine
PubChem CID106798004
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC NameN-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(CC2CSc3ccccc32)CC1
InChIInChI=1S/C17H25NS/c1-3-10-18-13(2)17(8-9-17)11-14-12-19-16-7-5-4-6-15(14)16/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyRDRABSJKELIVGA-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine (CID 106798004) is N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine is CCCNC(C)C1(CC2CSc3ccccc32)CC1.
What is the InChIKey of N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine?
The InChIKey is RDRABSJKELIVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-3-10-18-13(2)17(8-9-17)11-14-12-19-16-7-5-4-6-15(14)16/h4-7,13-14,18H,3,8-12H2,1-2H3.
What are the key properties of N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine?
N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine is sourced from PubChem (CID 106798004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).